Mol:FL4DCBGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7485 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7485 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0445 -0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0445 -0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3406 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3406 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3406 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3406 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0445 1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0445 1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7485 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7485 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6366 -0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6366 -0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0674 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0674 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0674 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0674 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6366 1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6366 1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6366 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6366 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8508 1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8508 1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5653 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5653 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2798 1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2798 1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2798 2.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2798 2.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5653 2.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5653 2.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8508 2.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8508 2.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8252 -0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8252 -0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0431 -0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0431 -0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4404 -0.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4404 -0.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6134 -0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6134 -0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9388 -0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9388 -0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7839 -1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7839 -1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6110 -2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6110 -2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2857 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2857 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9566 -0.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9566 -0.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8538 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8538 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5478 -2.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5478 -2.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9989 -2.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9989 -2.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3171 1.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3171 1.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9599 2.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9599 2.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9943 2.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9943 2.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9599 2.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9599 2.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 34 0.5687 -0.4084 | + | M SBV 1 34 0.5687 -0.4084 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 -0.7145 -0.4126 | + | M SBV 2 36 -0.7145 -0.4126 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DCBGS0001 | + | ID FL4DCBGS0001 |
| − | FORMULA C23H26O10 | + | FORMULA C23H26O10 |
| − | EXACTMASS 462.152597052 | + | EXACTMASS 462.152597052 |
| − | AVERAGEMASS 462.44654 | + | AVERAGEMASS 462.44654 |
| − | SMILES C(O2)(c(c4)ccc(OC)c4)C(C(=O)c(c3O)c2cc(c3)OC)OC(O1)C(O)C(C(O)C(C)1)O | + | SMILES C(O2)(c(c4)ccc(OC)c4)C(C(=O)c(c3O)c2cc(c3)OC)OC(O1)C(O)C(C(O)C(C)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.7485 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0445 -0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3406 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3406 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0445 1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7485 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6366 -0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0674 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0674 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6366 1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6366 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8508 1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5653 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2798 1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2798 2.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5653 2.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8508 2.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8252 -0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0431 -0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4404 -0.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6134 -0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9388 -0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7839 -1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6110 -2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2857 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9566 -0.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8538 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5478 -2.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9989 -2.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3171 1.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9599 2.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9943 2.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9599 2.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 1 0 0 0
2 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
18 21 1 0 0 0 0
22 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
30 31 1 0 0 0 0
6 30 1 0 0 0 0
32 33 1 0 0 0 0
15 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ OCH3
M SBV 1 34 0.5687 -0.4084
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.7145 -0.4126
S SKP 5
ID FL4DCBGS0001
FORMULA C23H26O10
EXACTMASS 462.152597052
AVERAGEMASS 462.44654
SMILES C(O2)(c(c4)ccc(OC)c4)C(C(=O)c(c3O)c2cc(c3)OC)OC(O1)C(O)C(C(O)C(C)1)O
M END
